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Structure Information
Structure

Compound Identification

SMILES

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@@H](CC[C@@]34C)C(C)(C)C=O)[C@@H]12)C(O)=O

InChIKey

InChIKey=MHLBXLHEIGKUET-INPVNEGFSA-N

Formula

C30H45NO3

Mass

467.694

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid acids

Intermediate Tree Nodes

3-carboxy steroids

Direct Parent

3-carboxy-20-oxosteroids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

3-carboxy-20-oxosteroid - 20-oxosteroid - Androstane-skeleton - 18-hydroxysteroid - 18-oxosteroid - Hydroxysteroid - Oxosteroid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-carboxy-20-oxosteroids. These are steroid compounds that carry a carboxyl group and a C=O group at the C3- and C20-positions of the steroid backbone, respectively.

External Descriptors

Not available

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